Role of coherence and delocalization in photo-induced electron transfer at organic interfaces

Abramavicius, Vytautas; Pranculis, Vytenis; Melianas, Armantas; Inganäs, Olle; Gulbinas, Vidmantas; Abramavičius, Darius

doi:10.1038/srep32914

Cited by 44 publications

(60 citation statements)

References 18 publications

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“…For very low light intensities, the noise level increases, which makes it difficult to measuret he t e for thesed evices between 0-0.45 V. For P3HT,t he maximum photo-voltage was lower,a nd t e was measured in ad ifferent voltage region compared to the other devices. [48] The P3HT-based deviceh ad higher DA at approximately 780 and 1300 nm. However,t he intensity dependence of t e is slightly different for the device based on P3HT compared with the other devices.F igure 6c and ds how the V OC and J SC dependence on the light intensity.B oth figures show the same trend, the device based on TQ1 has the highest V OC and J SC under different light intensities.…”

Section: Resultsmentioning

confidence: 97%

The Effect of Dopant‐Free Hole‐Transport Polymers on Charge Generation and Recombination in Cesium–Bismuth–Iodide Solar Cells

Zhu

Johansson

2018

ChemSusChem

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The photovoltaic characteristics of CsBi I -based solar cells with three dopant-free hole-conducting polymers are investigated. The effect on charge generation and charge recombination in the solar cells using the different polymers is studied and the results indicate that the choice of polymer strongly affects the device properties. Interestingly, for the solar cell with poly[[2,3-bis(3-octyloxyphenyl)-5,8-quinoxalinediyl]-2,5-thiophenediyl] (TQ1), the photon-to-current conversion spectrum is highly improved in the red wavelength region, suggesting that the polymer also contributes to the photocurrent generation in this case. This report provides a new direction for further optimization of Bi-halide solar cells by using dopant-free hole-transporting polymers and shows that the energy levels and the interaction between the Bi-halide and the conducting polymers are very important for solar cell performance.

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Section: Resultsmentioning

confidence: 97%

The Effect of Dopant‐Free Hole‐Transport Polymers on Charge Generation and Recombination in Cesium–Bismuth–Iodide Solar Cells

Zhu

Johansson

2018

ChemSusChem

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“…[10][11][12][13][14] Accordingly, accurate control of the crystal quality of molecular heterojunctions is desired for advancing further development of next-generation organic electronic devices. [10][11][12][13][14] Accordingly, accurate control of the crystal quality of molecular heterojunctions is desired for advancing further development of next-generation organic electronic devices.…”

mentioning

confidence: 99%

Temperature Dependent Epitaxial Growth of C₆₀ Overlayers on Single Crystal Pentacene

Nakayama

Tsuruta

Hinderhofer

et al. 2018

Adv Materials Inter

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due to charge carrier delocalization. [10][11][12][13][14] Accordingly, accurate control of the crystal quality of molecular heterojunctions is desired for advancing further development of next-generation organic electronic devices. [15][16][17] In the present work, the evolution of the crystallinity of a well-ordered bimolecular heterojunction, C 60 on a single crystal surface of pentacene (C 22 H 14 ), is studied depending on the growth temperature by means of surface X-ray diffraction techniques and noncontact mode atomic force microscopy (nc-AFM). Pentacene ( Figure 1a) and C 60 ( Figure 1b) are representative p-type (donor) and n-type (acceptor) semiconducting compounds generating an exciton-dissociating interface in a prototypical organic solar cell device. [18] The pentacene/C 60 interface has been studied widely, both experimentally [19][20][21][22][23][24] and theoretically. [25][26][27][28][29][30] It was recently discovered that C 60 crystallizes in its bulk structure epitaxially by aligning the nearest-neighbor face-centered-cubic (fcc)-110 < > axis uniquely along the [110] direction of the pentacene single crystal (Pn-SC) surface. [31] The type of this epitaxial interface is categorized into the incommensurism, whereas it is nearly of so-called "Type-IB" point-on-line coincidence [32] with a 6% lattice mismatch, as illustrated in Figure 1c. Moreover, the crystallographic coherence length of the C 60 overlayers grown at room temperature (RT) was found to exceed 100 nm in the in-plane directions. [33] The well-defined interface between Pn-SC and C 60 is ideally suited to study kinetic effects [34] in the growth of the topical donor-acceptor heterojunction. We herein demonstrate the crystallographic coherence of the C 60 overlayers on the Pn-SC as a function of the growth temperature through systematic Heteroepitaxy of one material onto another molecular single crystal surface is one promising route for resolving questions about formation criteria of molecular heterojunction structures as well as for the development of nextgeneration organic electronic devices allowing efficient intermolecular charge carrier exchange. In the present work, the in-plane and out-of-plane crystallinity of an epitaxial molecular p-n heterojunction, C 60 (acceptor) overlayers formed on the single crystal surface of pentacene (donor), and its evolution, depending on the growth temperature, are systematically elucidated. It is demonstrated that the crystallinity of the C 60 on pentacene is dominated by the temperature during the growth rather than the postannealing of the sample. The mean crystallite size in the in-plane directions grows from 50 to 150 nm proportionally to the growth temperature in a range of 125-370 K. The present results suggest that the formation mechanisms of the C 60 /pentacene heterojunction are kinetically controlled, by diffusion processes at the molecular interface, rather than by the thermal equilibrium conditions.

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“…The effect was attributed to an increased delocalization of the bound charge pairs. The beneficial effect of delocalization in charge separation has also been confirmed by kinetic Monte Carlo [110], stochastic Schrödinger equation [111] and TDDFT simulations [112].…”

Section: Excess Energy and Hot Statesmentioning

confidence: 85%

“…However, the crossover between hopping (Förster) and coherent propagation mechanisms, and, more generally, the role of quantum coherence, have been intensively explored using parametrized model Hamiltonians [129,53,111]. Demonstrating the genuine quantum nature of coherence might in some case be not straightforward.…”

Section: Quantum Coherence and Dissipation To The Environmentmentioning

confidence: 99%

Quantum modeling of ultrafast photoinduced charge separation

Rozzi

Troiani

Tavernelli

2017

J. Phys.: Condens. Matter

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Phenomena involving electron transfer are ubiquitous in nature, photosynthesis and enzymes or protein activity being prominent examples. Their deep understanding thus represents a mandatory scientific goal. Moreover, controlling the separation of photogenerated charges is a crucial prerequisite in many applicative contexts, including quantum electronics, photo-electrochemical water splitting, photocatalytic dye degradation, and energy conversion. In particular, photoinduced charge separation is the pivotal step driving the storage of sun light into electrical or chemical energy. If properly mastered, these processes may also allow us to achieve a better command of information storage at the nanoscale, as required for the development of molecular electronics, optical switching, or quantum technologies, amongst others.In this Topical review we survey recent progress in the understanding of ultrafast charge separation from photoexcited states. We report the state-of-the-art of the observation and theoretical description of charge separation phenomena in the ultrafast regime mainly focusing on molecularand nano-sized solar energy conversion systems. In particular, we examine different proposed mechanisms driving ultrafast charge dynamics, with particular regard to the role of quantum coherence and electron-nuclear coupling, and link experimental observations to theoretical approaches based either on model Hamiltonians or on first principles simulations.

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Role of coherence and delocalization in photo-induced electron transfer at organic interfaces

Cited by 44 publications

References 18 publications

The Effect of Dopant‐Free Hole‐Transport Polymers on Charge Generation and Recombination in Cesium–Bismuth–Iodide Solar Cells

The Effect of Dopant‐Free Hole‐Transport Polymers on Charge Generation and Recombination in Cesium–Bismuth–Iodide Solar Cells

Temperature Dependent Epitaxial Growth of C₆₀ Overlayers on Single Crystal Pentacene

Quantum modeling of ultrafast photoinduced charge separation

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Role of coherence and delocalization in photo-induced electron transfer at organic interfaces

Cited by 44 publications

References 18 publications

The Effect of Dopant‐Free Hole‐Transport Polymers on Charge Generation and Recombination in Cesium–Bismuth–Iodide Solar Cells

The Effect of Dopant‐Free Hole‐Transport Polymers on Charge Generation and Recombination in Cesium–Bismuth–Iodide Solar Cells

Temperature Dependent Epitaxial Growth of C60 Overlayers on Single Crystal Pentacene

Quantum modeling of ultrafast photoinduced charge separation

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Product

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About

Temperature Dependent Epitaxial Growth of C₆₀ Overlayers on Single Crystal Pentacene